(3R,4S,4aS,6aS,9R,11aS,11bR)-11a-Hydroxy-4,11b-dimethyl-3-(((E)-2-methylbut-2-enoyl)oxy)-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid CAS 1588516-87-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1588516-87-3
Molecular FormulaC25H36O5
Molecular Weight416.55 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3R,4S,4aS,6aS,9R,11aS,11bR)-11a-Hydroxy-4,11b-dimethyl-3-(((E)-2-methylbut-2-enoyl)oxy)-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid CAS 1588516-87-3 chemical structure

Description

The occurrence of (3R,4S,4aS,6aS,9R,11aS,11bR)-11a-Hydroxy-4,11b-dimethyl-3-(((E)-2-methylbut-2-enoyl)oxy)-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid is closely related to a flavonoid core, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies (3R,4S,4aS,6aS,9R,11aS,11bR)-11a-Hydroxy-4,11b-dimethyl-3-(((E)-2-methylbut-2-enoyl)oxy)-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid (CAS 1588516-87-3), a certified reference material (molecular formula C25H36O5, MW 416.55 g/mol) for analytical method development and quality control.

Structurally, (3R,4S,4aS,6aS,9R,11aS,11bR)-11a-Hydroxy-4,11b-dimethyl-3-(((E)-2-methylbut-2-enoyl)oxy)-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid (C25H36O5) contains a flavonoid core, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 416.55 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC25H36O5
Molecular Weight416.55 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993

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